ethyl 5-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]isoxazole-3-carboxylate CAS Name: 5-[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]isoxazole-3-carboxylic acid ethyl ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O6S/c1-3-26-19(22)15-13-17(27-20-15)14-8-9-16(25-2)18(12-14)28(23,24)21-10-6-4-5-7-11-21/h8-9,12-13H,3-7,10-11H2,1-2H3